N-(1,1-dideuterio-2-methylpropyl)methanesulfonamide

C5H13NO2S — CID 149182580

IUPACN-(1,1-dideuterio-2-methylpropyl)methanesulfonamide
SMILES[2H]C([2H])(NS(C)(=O)=O)C(C)C
InChIInChI=1S/C5H13NO2S/c1-5(2)4-6-9(3,7)8/h5-6H,4H2,1-3H3/i4D2
InChIKeyXBGDRQUFMJRVAL-APZFVMQVSA-N
MW153.24 g/mol
LogP0.19
Rot. Bonds3

About N-(1,1-dideuterio-2-methylpropyl)methanesulfonamide

N-(1,1-dideuterio-2-methylpropyl)methanesulfonamide (PubChem CID 149182580) has the molecular formula C5H13NO2S and a molecular weight of 153.24 g/mol. Its IUPAC name is N-(1,1-dideuterio-2-methylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1,1-dideuterio-2-methylpropyl)methanesulfonamide
PubChem CID149182580
Molecular FormulaC5H13NO2S
Molecular Weight153.24 g/mol
Exact Mass153.08
IUPAC NameN-(1,1-dideuterio-2-methylpropyl)methanesulfonamide
SMILES[2H]C([2H])(NS(C)(=O)=O)C(C)C
InChIInChI=1S/C5H13NO2S/c1-5(2)4-6-9(3,7)8/h5-6H,4H2,1-3H3/i4D2
InChIKeyXBGDRQUFMJRVAL-APZFVMQVSA-N
XLogP0.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.24
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dideuterio-2-methylpropyl)methanesulfonamide?
The IUPAC name of N-(1,1-dideuterio-2-methylpropyl)methanesulfonamide (CID 149182580) is N-(1,1-dideuterio-2-methylpropyl)methanesulfonamide.
What is the SMILES notation for N-(1,1-dideuterio-2-methylpropyl)methanesulfonamide?
The canonical SMILES for N-(1,1-dideuterio-2-methylpropyl)methanesulfonamide is [2H]C([2H])(NS(C)(=O)=O)C(C)C.
What is the InChIKey of N-(1,1-dideuterio-2-methylpropyl)methanesulfonamide?
The InChIKey is XBGDRQUFMJRVAL-APZFVMQVSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-5(2)4-6-9(3,7)8/h5-6H,4H2,1-3H3/i4D2.
What are the key properties of N-(1,1-dideuterio-2-methylpropyl)methanesulfonamide?
N-(1,1-dideuterio-2-methylpropyl)methanesulfonamide has a molecular weight of 153.24 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dideuterio-2-methylpropyl)methanesulfonamide is sourced from PubChem (CID 149182580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).